1,7-dimethyl-7-(2-phenylethenyl)bicyclo[2.2.1]heptane

C17H22 — CID 161422444

IUPAC1,7-dimethyl-7-(2-phenylethenyl)bicyclo[2.2.1]heptane
SMILESCC12CCC(CC1)C2(C)C=Cc1ccccc1
InChIInChI=1S/C17H22/c1-16-11-9-15(10-12-16)17(16,2)13-8-14-6-4-3-5-7-14/h3-8,13,15H,9-12H2,1-2H3
InChIKeyVWXKSHWDRWHOSJ-UHFFFAOYSA-N
MW226.36 g/mol
LogP4.92
Rot. Bonds2

About 1,7-dimethyl-7-(2-phenylethenyl)bicyclo[2.2.1]heptane

1,7-dimethyl-7-(2-phenylethenyl)bicyclo[2.2.1]heptane (PubChem CID 161422444) has the molecular formula C17H22 and a molecular weight of 226.36 g/mol. Its IUPAC name is 1,7-dimethyl-7-(2-phenylethenyl)bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name1,7-dimethyl-7-(2-phenylethenyl)bicyclo[2.2.1]heptane
PubChem CID161422444
Molecular FormulaC17H22
Molecular Weight226.36 g/mol
Exact Mass226.17
IUPAC Name1,7-dimethyl-7-(2-phenylethenyl)bicyclo[2.2.1]heptane
SMILESCC12CCC(CC1)C2(C)C=Cc1ccccc1
InChIInChI=1S/C17H22/c1-16-11-9-15(10-12-16)17(16,2)13-8-14-6-4-3-5-7-14/h3-8,13,15H,9-12H2,1-2H3
InChIKeyVWXKSHWDRWHOSJ-UHFFFAOYSA-N
XLogP4.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,7-dimethyl-7-(2-phenylethenyl)bicyclo[2.2.1]heptane?
The IUPAC name of 1,7-dimethyl-7-(2-phenylethenyl)bicyclo[2.2.1]heptane (CID 161422444) is 1,7-dimethyl-7-(2-phenylethenyl)bicyclo[2.2.1]heptane.
What is the SMILES notation for 1,7-dimethyl-7-(2-phenylethenyl)bicyclo[2.2.1]heptane?
The canonical SMILES for 1,7-dimethyl-7-(2-phenylethenyl)bicyclo[2.2.1]heptane is CC12CCC(CC1)C2(C)C=Cc1ccccc1.
What is the InChIKey of 1,7-dimethyl-7-(2-phenylethenyl)bicyclo[2.2.1]heptane?
The InChIKey is VWXKSHWDRWHOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22/c1-16-11-9-15(10-12-16)17(16,2)13-8-14-6-4-3-5-7-14/h3-8,13,15H,9-12H2,1-2H3.
What are the key properties of 1,7-dimethyl-7-(2-phenylethenyl)bicyclo[2.2.1]heptane?
1,7-dimethyl-7-(2-phenylethenyl)bicyclo[2.2.1]heptane has a molecular weight of 226.36 g/mol, XLogP of 4.92, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dimethyl-7-(2-phenylethenyl)bicyclo[2.2.1]heptane is sourced from PubChem (CID 161422444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).